CAS 70672-86-5

(1-Methoxy-3-methyl-3-buten-1-yl)benzene

Description:

(1-Methoxy-3-methyl-3-buten-1-yl)benzene, also known by its CAS number 70672-86-5, is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a methoxy group and a 3-methyl-3-buten-1-yl side chain. This compound typically exhibits a colorless to pale yellow liquid form and possesses a distinctive aromatic odor. Its molecular structure suggests it has both hydrophobic and hydrophilic characteristics, making it soluble in organic solvents while having limited solubility in water. The presence of the methoxy group contributes to its reactivity, allowing for potential participation in electrophilic aromatic substitution reactions. Additionally, the compound may exhibit biological activity, which could be of interest in fields such as medicinal chemistry or fragrance formulation. Safety data indicates that, like many organic compounds, it should be handled with care, as it may pose risks such as skin irritation or respiratory issues upon exposure. Proper storage and handling protocols are essential to ensure safety and stability.

Formula: C₁₂H₁₆O

InChI: InChI=1S/C12H16O/c1-10(2)9-12(13-3)11-7-5-4-6-8-11/h4-8,12H,1,9H2,2-3H3

InChI key: InChIKey=NJORHIXUSNLIQR-UHFFFAOYSA-N

SMILES: C(CC(C)=C)(OC)C1=CC=CC=C1

Synonyms:

• Benzene, (1-methoxy-3-methyl-3-butenyl)-
• Benzene, (1-methoxy-3-methyl-3-buten-1-yl)-
• (1-Methoxy-3-methyl-3-buten-1-yl)benzene
• (1-Methoxy-3-methylbut-3-enyl)benzene
• 2-Methyl-4-methoxy-4-phenyl-1-butene